NIH-ZINC02922267 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.5520 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -3.8950 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -4.4410 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -5.7970 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -6.6320 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -6.0770 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -4.7190 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -8.0850 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -8.5640 -0.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -8.9820 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -10.4380 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -12.7210 -1.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8360 -12.7920 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -13.3010 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -13.4970 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -12.9340 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -3.7960 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -6.2200 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -6.7170 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -4.2900 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -8.7100 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -8.8650 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -10.7100 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -10.5550 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -13.2300 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -12.7400 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -14.3470 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -11.3120 -0.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -11.0390 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -14.8140 -1.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -15.2690 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M END